N,N,N-trimethylanilinium tribromide

• ChemBase ID: 796786
• Molecular Formular: C9H14Br3N--
• Molecular Mass: 375.92616
• Monoisotopic Mass: 372.86763545
• SMILES: c1(ccccc1)[N+](C)(C)C.[Br-].[Br-].[Br-]
• Canonical SMILES: C[N+](c1ccccc1)(C)C.[Br-].[Br-].[Br-]
• InChI: InChI=1S/C9H14N.3BrH/c1-10(2,3)9-7-5-4-6-8-9;;;/h4-8H,1-3H3;3*1H/q+1;;;/p-3
• InChIKey: VVHZJARZKKLEOT-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,N-trimethylanilinium tribromide
• IUPAC Traditional name: tetrabutylammonium tribromide tribromide
• Synonyms: Mono(N,N,N-triMethylbenzenaMiniuM) tribroMide

Database IDs

• CAS Number: 4207-56-1

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.96705
• LogD (pH = 7.4): -1.96705
• Log P: -1.96705
• Molar Refractivity: 55.6793 cm^3
• Polarizability: 17.334887 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%